N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine

C14H20ClNS — CID 104854276

IUPACN-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NCc2ccc(Cl)cc2C)C1
InChIInChI=1S/C14H20ClNS/c1-10-7-12(15)4-3-11(10)9-16-13-5-6-14(8-13)17-2/h3-4,7,13-14,16H,5-6,8-9H2,1-2H3
InChIKeyRYWPCIQSDDIRDU-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.02
Rot. Bonds4

About N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine

N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 104854276) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID104854276
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NCc2ccc(Cl)cc2C)C1
InChIInChI=1S/C14H20ClNS/c1-10-7-12(15)4-3-11(10)9-16-13-5-6-14(8-13)17-2/h3-4,7,13-14,16H,5-6,8-9H2,1-2H3
InChIKeyRYWPCIQSDDIRDU-UHFFFAOYSA-N
XLogP4.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-chlorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701411
N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701474
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701328
N-[(6-chloro-3-pyridinyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 115683740
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122843
N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122241
4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 103953607
2,6-difluoro-4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 113251438
N-[(4-chloro-2-methylphenyl)methyl]-1-cyclopropylmethanamine
CID 104853922
N-[(4-tert-butylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701416
3-methylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926173
N-[(4-bromo-2-chlorophenyl)methyl]-3-ethylsulfanylcyclopentan-1-amine
CID 114122903

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine (CID 104854276) is N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine is CSC1CCC(NCc2ccc(Cl)cc2C)C1.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is RYWPCIQSDDIRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-10-7-12(15)4-3-11(10)9-16-13-5-6-14(8-13)17-2/h3-4,7,13-14,16H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 269.84 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 104854276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).